SCHEMBL11772552

SCHEMBL11772552

CCCNC(=O)Nc1cc(C)c(Sc2ccc(Cl)cc2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ CNR1 P21554 7/20 0.48
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 2/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ EPHX1 P07099 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11768334 0.89 KMT2A (0.59) MEN1KMT2ACNR1ALDH1A1MAPT
SCHEMBL11767186 0.87 EPHX2 (0.55) MEN1KMT2ACNR1ALDH1A1MAPT
SCHEMBL11772163 0.84 CNR1 (0.61) MEN1KMT2ACNR1MAPTSMN1; SMN2
SCHEMBL11770865 0.84 CNR1 (0.42) MEN1KMT2ACNR1MAPTEPHX2
SCHEMBL11770941 0.83 ALDH1A1 (0.57) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL11771565 0.79 KMT2A (0.51) MEN1KMT2ACNR1ALDH1A1MAPT
SCHEMBL11766845 0.78 HPGD (0.46) MEN1KMT2ACNR1EPHX2EPHX1
SCHEMBL8578118 0.78 CNR1 (0.73) MEN1KMT2ACNR1ALDH1A1MAPT
SCHEMBL11769994 0.77 KMT2A (0.47) MEN1KMT2ACNR1ALDH1A1MAPT
SCHEMBL11766875 0.76 KMT2A (0.50) MEN1KMT2ACNR1ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3970752-A Coccidiocidal compositions utilizing 1-phenyl-substituted 1,3,5-triazine BAYER AKTIENGESELLSCHAFT (DT) 1976-07-20 — — US disclosed
US-3948893-A COCCIDIOSIS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 — — US disclosed
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